Chemical Properties of Succinic acid, dec-2-yl 3-phenoxybenzyl ester

InChI

InChI=1S/C27H36O5/c1-3-4-5-6-7-9-13-22(2)31-27(29)19-18-26(28)30-21-23-14-12-17-25(20-23)32-24-15-10-8-11-16-24/h8,10-12,14-17,20,22H,3-7,9,13,18-19,21H2,1-2H3

InChI Key

VORHSEJOTQJKNJ-UHFFFAOYSA-N

Formula

C27H36O5

SMILES

CCCCCCCCC(C)OC(=O)CCC(=O)OCc1cccc(Oc2ccccc2)c1

Molecular Weight¹

440.58

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	59.78	kJ/mol	Joback Calculated Property
log10WS	-6.79		Relay (1.0) Calculated Property
logPoct/wat	6.985		Crippen Calculated Property
McVol	364.520	ml/mol	McGowan Calculated Property
Inp	[3133.00; 3133.00]
Inp	3133.00		NIST
Inp	3133.00		NIST
Tboil	710.76	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[514.05; 1207.45]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-5.30000e-01
Coefficient B			2.18464e+00
Coefficient C			-1.14336e-03
Coefficient D			1.66700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	514.05	J/mol×K	273.00	Calculated Property
Cp,gas	636.63	J/mol×K	353.78	Calculated Property
Cp,gas	746.59	J/mol×K	434.56	Calculated Property
Cp,gas	844.46	J/mol×K	515.33	Calculated Property
Cp,gas	930.78	J/mol×K	596.11	Calculated Property
Cp,gas	1006.07	J/mol×K	676.89	Calculated Property
Cp,gas	1070.85	J/mol×K	757.67	Calculated Property
Cp,gas	1125.66	J/mol×K	838.44	Calculated Property
Cp,gas	1171.01	J/mol×K	919.22	Calculated Property
Cp,gas	1207.45	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0002368; 0.0000189]	Pa×s	[551.30; 869.49]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.52549e+01
Coefficient B			3.80769e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			551.30
Temperature range, max.			869.49
η	0.0002368	Pa×s	551.30	Calculated Property
η	0.0001562	Pa×s	586.65	Calculated Property
η	0.0001080	Pa×s	622.01	Calculated Property
η	0.0000777	Pa×s	657.36	Calculated Property
η	0.0000578	Pa×s	692.72	Calculated Property
η	0.0000443	Pa×s	728.07	Calculated Property
η	0.0000348	Pa×s	763.43	Calculated Property
η	0.0000279	Pa×s	798.78	Calculated Property
η	0.0000228	Pa×s	834.14	Calculated Property
η	0.0000189	Pa×s	869.49	Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, dec-2-yl 3-phenoxybenzyl ester.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.